SCHEMBL19658449

SCHEMBL19658449

CC(=O)N1CC2(CCN(C)C2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 3/20 0.46
CYP3A4 P08684 8/20 0.45
CYP2D6 P10635 5/20 0.42
CYP2C19 P33261 3/20 0.42
HSD17B10 Q99714 4/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
TSHR P16473 2/20 0.40
CYP2C9 P11712 2/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18711889 0.90 USP2 (0.49) CYP1A2TDP1USP2CYP3A4CYP2D6
SCHEMBL18390599 0.89 CYP1A2 (0.54) CYP1A2TDP1USP2CYP3A4CYP2D6
SCHEMBL8330359 0.88 USP2 (0.54) CYP1A2TDP1USP2CYP3A4CYP2D6
SCHEMBL19504703 0.88 OPRM1 (0.47) CYP1A2TDP1USP2CYP3A4CYP2D6
SCHEMBL26832959 0.85 ALDH1A1 (0.49) CYP1A2USP2CYP3A4CYP2D6CYP2C19
SCHEMBL23763347 0.83 CYP1A2 (0.52) CYP1A2TDP1USP2CYP3A4CYP2D6
SCHEMBL14022394 0.82 CYP1A2 (0.48) CYP1A2TDP1USP2CYP3A4CYP2D6
SCHEMBL31706735 0.82 USP2 (0.45) CYP1A2USP2CYP3A4CYP2D6CYP2C19
SCHEMBL17624331 0.81 KDM4E (0.56) CYP1A2TDP1USP2CYP3A4CYP2D6
SCHEMBL23763122 0.80 CYP3A4 (0.51) CYP1A2TDP1USP2CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4223754-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-09 EP disclosed
WO-2023096995-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(6-MEMBERED HETEROCYCLOALKYL)-2-METHYLPYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE ANALOGUES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-06-01 WO disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CYP1A2 3848/4885TDP1 703/4885USP2 3360/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.